1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

C21H29N5O — CID 154736083

IUPAC1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCC1CC(NC(=O)NCc2cn3c(n2)CCCC3)CN1Cc1ccccc1
InChIInChI=1S/C21H29N5O/c1-16-11-18(14-26(16)13-17-7-3-2-4-8-17)24-21(27)22-12-19-15-25-10-6-5-9-20(25)23-19/h2-4,7-8,15-16,18H,5-6,9-14H2,1H3,(H2,22,24,27)
InChIKeyMNZBZZTXLWTLKV-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 154736083) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID154736083
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCC1CC(NC(=O)NCc2cn3c(n2)CCCC3)CN1Cc1ccccc1
InChIInChI=1S/C21H29N5O/c1-16-11-18(14-26(16)13-17-7-3-2-4-8-17)24-21(27)22-12-19-15-25-10-6-5-9-20(25)23-19/h2-4,7-8,15-16,18H,5-6,9-14H2,1H3,(H2,22,24,27)
InChIKeyMNZBZZTXLWTLKV-UHFFFAOYSA-N
XLogP2.68
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119895468
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CID 119895498
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]benzamide
CID 42950879
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
(2S,4S)-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124618152
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109457308
1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-oxopiperidin-3-yl)urea
CID 71923796
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119895540

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 154736083) is 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is CC1CC(NC(=O)NCc2cn3c(n2)CCCC3)CN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is MNZBZZTXLWTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-11-18(14-26(16)13-17-7-3-2-4-8-17)24-21(27)22-12-19-15-25-10-6-5-9-20(25)23-19/h2-4,7-8,15-16,18H,5-6,9-14H2,1H3,(H2,22,24,27).
What are the key properties of 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 367.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methylpyrrolidin-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 154736083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).